UCSF

ZINC98175598

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2014 27 No

Popular Name: 2-(Benzoylamino)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4--methyl-4H-1-benzopyran-3-carboxylic acid methyl ester 2-(Benzoylamino)-5,6,7,8-tetrahy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 9.9 -13.78 1 6 0 82 369.417 4 ↓
Mid Mid (pH 6-8) 2.87 8.67 -48.57 0 6 -1 88 368.409 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.